dynasor
A tool for calculating dynamical structure factors
A tool for calculating dynamical structure factors
To install this package, run one of the following:
dynasor is a simple tool for calculating total and partial dynamical structure factors as well as current correlation functions from molecular dynamics (MD) simulations. The main input consists of a trajectory output from a MD simulation, i.e., a file containing snapshots of the particle coordinates and optionally velocities that correspond to consecutive, equally spaced points in (simulation) time.
Summary
A tool for calculating dynamical structure factors
Last Updated
Aug 27, 2025 at 04:35
License
MIT
Total Downloads
177.0K
Supported Platforms
Unsupported Platforms
GitHub Repository
https://gitlab.com/materials-modeling/dynasorDocumentation
https://dynasor.materialsmodeling.org